SCHEMBL30544866

SCHEMBL30544866

Cn1cccc1-c1cnn(C(=O)N[C@@H](CCCCN)C(=O)O)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.37
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ SLC15A2 Q16348 1/20 0.36
▸ CPB2 Q96IY4 4/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ CPB1 P15086 1/20 0.34
▸ ERAP2 Q6P179 2/20 0.33
▸ LNPEP Q9UIQ6 2/20 0.33
▸ SLC6A5 Q9Y345 1/20 0.33
▸ TLR2 O60603 1/20 0.33
▸ ERAP1 Q9NZ08 1/20 0.33
▸ ACE P12821 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30544861 0.85 MMP2 (0.46) FOLH1MMP2MMP9CA1CA2
SCHEMBL30544862 0.79 FOLH1 (0.36) FOLH1MMP2MMP9CA1CA2
SCHEMBL34467688 0.78 NOS1 (0.35) ALOX15
SCHEMBL31300252 0.75 ARG1 (0.38) ALOX15
SCHEMBL30544854 0.72 FOLH1 (0.51) FOLH1MMP2MMP9CA1CA2
SCHEMBL30544865 0.72 SIRT2 (0.46) FOLH1
SCHEMBL30544857 0.65 MMP2 (0.46) FOLH1MMP2MMP9CA1CA2
SCHEMBL10615102 0.65 GRIN1 (0.55) FOLH1MMP2MMP9CA1CA2
SCHEMBL30544860 0.63 FOLH1 (0.47) FOLH1MMP2MMP9CA1CA2
SCHEMBL30544859 0.63 FOLH1 (0.47) FOLH1MMP2MMP9CA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4496837-A2 ORTHOGONALLY CROSSLINKED PROTEINS, METHODS OF MAKING, AND USES THEREOF The Research Foundation for The State University of New York (US) 2025-01-29 — — EP disclosed
WO-2023178107-A2 ORTHOGONALLY CROSSLINKED PROTEINS, METHODS OF MAKING, AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-09-21 — — WO disclosed
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